[3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate

C17H18N2O3 — CID 108865160

IUPAC[3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C17H18N2O3/c1-11-7-8-16(12(2)9-11)19-17(21)18-14-5-4-6-15(10-14)22-13(3)20/h4-10H,1-3H3,(H2,18,19,21)
InChIKeyONMIJDPRPYNDJC-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.87
Rot. Bonds3

About [3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate

[3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate (PubChem CID 108865160) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is [3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate.

Molecular Properties

Compound Name[3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate
PubChem CID108865160
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name[3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C17H18N2O3/c1-11-7-8-16(12(2)9-11)19-17(21)18-14-5-4-6-15(10-14)22-13(3)20/h4-10H,1-3H3,(H2,18,19,21)
InChIKeyONMIJDPRPYNDJC-UHFFFAOYSA-N
XLogP3.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
[3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate
CID 108865153
1-(4-methoxy-2-methylphenyl)-3-(3-methylphenyl)urea
CID 46860185
methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate
CID 108991298
[3-[(2-bromophenyl)carbamoylamino]phenyl] acetate
CID 108865321
[3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate
CID 108865397
[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl] acetate
CID 108865068
[3-(pyrimidin-2-ylcarbamoylamino)phenyl] acetate
CID 108865196
[3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865140
1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea
CID 61341644
[3-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865332
[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865154

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate?
The IUPAC name of [3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate (CID 108865160) is [3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate.
What is the SMILES notation for [3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate?
The canonical SMILES for [3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate is CC(=O)Oc1cccc(NC(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of [3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate?
The InChIKey is ONMIJDPRPYNDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-7-8-16(12(2)9-11)19-17(21)18-14-5-4-6-15(10-14)22-13(3)20/h4-10H,1-3H3,(H2,18,19,21).
What are the key properties of [3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate?
[3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate has a molecular weight of 298.34 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate is sourced from PubChem (CID 108865160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).